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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase' AND taxid = 9913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Bos taurus)
BDBM50247597
PNG
(4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiol-3-one | CH...)
Show SMILES COc1ccc(cc1)-c1ssc(=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H14O3S2/c1-19-13-7-3-11(4-8-13)15-16(21-22-17(15)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247826
PNG
(4,5-bis(4-methoxyphenyl)isothiazole | CHEMBL473946)
Show SMILES COc1ccc(cc1)-c1cnsc1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2


(Bos taurus)
BDBM50129504
PNG
(6-Ethylsulfanyl-3-(4-methanesulfonyl-phenyl)-4-phe...)
Show SMILES CCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H18O4S2/c1-3-25-18-13-17(14-7-5-4-6-8-14)19(20(21)24-18)15-9-11-16(12-10-15)26(2,22)23/h4-13H,3H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245432
PNG
(4,5-Bis(4-methoxyphenyl)-1,2-selenazole | CHEMBL47...)
Show SMILES COc1ccc(cc1)-c1cn[se]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H15NO2Se/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247901
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiole-3-thi...)
Show SMILES Cc1ccc(cc1)-c1ssc(=S)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClS3/c1-10-2-4-12(5-3-10)15-14(16(18)20-19-15)11-6-8-13(17)9-7-11/h2-9H,1H3
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n/an/a 6n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245465
PNG
(5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,2-selenaz...)
Show SMILES COc1ccc(cc1)-c1cn[se]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOSe/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
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n/an/a 10n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247827
PNG
(5-(4-methoxyphenyl)-4-p-tolylisothiazole | CHEMBL5...)
Show SMILES COc1ccc(cc1)-c1sncc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H15NOS/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247851
PNG
(4-(4-Chlorophenyl)-5-(4-methoxyphenyl)isothiazole ...)
Show SMILES COc1ccc(cc1)-c1sncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOS/c1-19-14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247578
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiol-3-one ...)
Show SMILES Cc1ccc(cc1)-c1ssc(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClOS2/c1-10-2-4-12(5-3-10)15-14(16(18)20-19-15)11-6-8-13(17)9-7-11/h2-9H,1H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245433
PNG
(5-(4-Methoxyphenyl)-4-p-tolyl-1,2-selenazole | CHE...)
Show SMILES COc1ccc(cc1)-c1[se]ncc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H15NOSe/c1-12-3-5-13(6-4-12)16-11-18-20-17(16)14-7-9-15(19-2)10-8-14/h3-11H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245466
PNG
(4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1,2-selenaz...)
Show SMILES COc1ccc(cc1)-c1[se]ncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOSe/c1-19-14-8-4-12(5-9-14)16-15(10-18-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
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n/an/a 20n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247902
PNG
(4,5-bis(4-methoxyphenyl)-3H-1,2-dithiole-3-thione ...)
Show SMILES COc1ccc(cc1)-c1ssc(=S)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H14O2S3/c1-18-13-7-3-11(4-8-13)15-16(21-22-17(15)20)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247847
PNG
(5-(4-Chlorophenyl)-4-p-tolylisothiazole | CHEMBL52...)
Show SMILES Cc1ccc(cc1)-c1cnsc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNS/c1-11-2-4-12(5-3-11)15-10-18-19-16(15)13-6-8-14(17)9-7-13/h2-10H,1H3
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n/an/a 40n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245435
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-1,2-selenazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1[se]ncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNSe/c1-11-2-4-13(5-3-11)16-15(10-18-19-16)12-6-8-14(17)9-7-12/h2-10H,1H3
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n/an/a 50n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 57n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Bos taurus)
BDBM50247850
PNG
(5-(4-Chlorophenyl)-4-(4-methoxyphenyl)isothiazole ...)
Show SMILES COc1ccc(cc1)-c1cnsc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNOS/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
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n/an/a 70n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247849
PNG
(4,5-Bis(4-chlorophenyl)isothiazole | CHEMBL491088)
Show SMILES Clc1ccc(cc1)-c1cnsc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NS/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
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n/an/a 100n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50134831
PNG
(6-Ethoxy-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-...)
Show SMILES CCOc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H17FO5S/c1-3-25-18-12-17(13-4-8-15(21)9-5-13)19(20(22)26-18)14-6-10-16(11-7-14)27(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 150n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50038649
PNG
(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245434
PNG
(5-(4-Chlorophenyl)-4-p-tolyl-1,2-selenazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1cn[se]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNSe/c1-11-2-4-12(5-3-11)15-10-18-19-16(15)13-6-8-14(17)9-7-13/h2-10H,1H3
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245436
PNG
(4,5-Bis(4-chlorophenyl)-1,2-selenazole | CHEMBL501...)
Show SMILES Clc1ccc(cc1)-c1cn[se]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NSe/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247848
PNG
(4-(4-Chlorophenyl)-5-p-tolylisothiazole | CHEMBL49...)
Show SMILES Cc1ccc(cc1)-c1sncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNS/c1-11-2-4-13(5-3-11)16-15(10-18-19-16)12-6-8-14(17)9-7-12/h2-10H,1H3
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247577
PNG
(5-(4-Chlorophenyl)-4-p-tolyl-3H-1,2-dithiol-3-one ...)
Show SMILES Cc1ccc(cc1)-c1c(ssc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClOS2/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)18)12-6-8-13(17)9-7-12/h2-9H,1H3
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n/an/a 200n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of bovine COX-1 by enzyme immuno assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50044080
PNG
(2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)
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n/an/a 390n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50387596
PNG
(CHEMBL2057740)
Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1O
Show InChI InChI=1S/C9H5ClO3S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3,11H,(H,12,13)
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n/an/a 410n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 430n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50012780
PNG
((3,5-Di-tert-butyl-4-hydroxy-phenyl)-thiophen-2-yl...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C19H24O2S/c1-18(2,3)13-10-12(16(20)15-8-7-9-22-15)11-14(17(13)21)19(4,5)6/h7-11,21H,1-6H3
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n/an/a 500n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50129499
PNG
(6-Isopropyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-...)
Show SMILES CC(C)c1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C21H20O4S/c1-14(2)19-13-18(15-7-5-4-6-8-15)20(21(22)25-19)16-9-11-17(12-10-16)26(3,23)24/h4-14H,1-3H3
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n/an/a 500n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247574
PNG
(4-(4-(Methylsulfonyl)phenyl)-5-p-tolyl-3H-1,2-dith...)
Show SMILES Cc1ccc(cc1)-c1ssc(=S)c1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O2S4/c1-11-3-5-13(6-4-11)16-15(17(20)22-21-16)12-7-9-14(10-8-12)23(2,18)19/h3-10H,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50129496
PNG
(3-(4-Methanesulfonyl-phenyl)-6-methyl-4-phenyl-pyr...)
Show SMILES Cc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C19H16O4S/c1-13-12-17(14-6-4-3-5-7-14)18(19(20)23-13)15-8-10-16(11-9-15)24(2,21)22/h3-12H,1-2H3
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n/an/a 680n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247852
PNG
(4-(5-(4-Hydroxyphenyl)isothiazol-4-yl)phenol | CHE...)
Show SMILES Oc1ccc(cc1)-c1cnsc1-c1ccc(O)cc1
Show InChI InChI=1S/C15H11NO2S/c17-12-5-1-10(2-6-12)14-9-16-19-15(14)11-3-7-13(18)8-4-11/h1-9,17-18H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of bovine COX2 by enzyme immunoassay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin production


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid


J Nat Prod 64: 745-9 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50129503
PNG
(6-Ethoxy-3-(4-methanesulfonyl-phenyl)-4-phenyl-pyr...)
Show SMILES CCOc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H18O5S/c1-3-24-18-13-17(14-7-5-4-6-8-14)19(20(21)25-18)15-9-11-16(12-10-15)26(2,22)23/h4-13H,3H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50134837
PNG
(6-Ethylsulfanyl-4-(4-fluoro-phenyl)-3-(4-methanesu...)
Show SMILES CCSc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H17FO4S2/c1-3-26-18-12-17(13-4-8-15(21)9-5-13)19(20(22)25-18)14-6-10-16(11-7-14)27(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50129502
PNG
(6-Ethyl-3-(4-methanesulfonyl-phenyl)-4-phenyl-pyra...)
Show SMILES CCc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H18O4S/c1-3-16-13-18(14-7-5-4-6-8-14)19(20(21)24-16)15-9-11-17(12-10-15)25(2,22)23/h4-13H,3H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50134827
PNG
(6-Isobutoxy-3-(4-methanesulfonyl-phenyl)-4-phenyl-...)
Show SMILES CC(C)COc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C22H22O5S/c1-15(2)14-26-20-13-19(16-7-5-4-6-8-16)21(22(23)27-20)17-9-11-18(12-10-17)28(3,24)25/h4-13,15H,14H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50129497
PNG
(6-Isopropoxy-3-(4-methanesulfonyl-phenyl)-4-phenyl...)
Show SMILES CC(C)Oc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C21H20O5S/c1-14(2)25-19-13-18(15-7-5-4-6-8-15)20(21(22)26-19)16-9-11-17(12-10-16)27(3,23)24/h4-14H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247900
PNG
(5-(4-Chlorophenyl)-4-p-tolyl-3H-1,2-dithiole-3-thi...)
Show SMILES Cc1ccc(cc1)-c1c(ssc1=S)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClS3/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)18)12-6-8-13(17)9-7-12/h2-9H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


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Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50387594
PNG
(CHEMBL2057741)
Show SMILES OC(=O)c1sc2c(Cl)cccc2c1O
Show InChI InChI=1S/C9H5ClO3S/c10-5-3-1-2-4-6(11)8(9(12)13)14-7(4)5/h1-3,11H,(H,12,13)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


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More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50134833
PNG
(6-tert-Butoxy-3-(4-methanesulfonyl-phenyl)-4-pheny...)
Show SMILES CC(C)(C)Oc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C22H22O5S/c1-22(2,3)27-19-14-18(15-8-6-5-7-9-15)20(21(23)26-19)16-10-12-17(13-11-16)28(4,24)25/h5-14H,1-4H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Bos taurus)
BDBM50129498
PNG
(3-(4-Methanesulfonyl-phenyl)-6-methylsulfanyl-4-ph...)
Show SMILES CSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C19H16O4S2/c1-24-17-12-16(13-6-4-3-5-7-13)18(19(20)23-17)14-8-10-15(11-9-14)25(2,21)22/h3-12H,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


Citation and Details
More data for this
Ligand-Target Pair
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